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Cu2O behavior under pressure: an ab initio study

Journal of physics. Condensed matter, 2011-02, Vol.23 (4), p.045502-045502

2011

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Theoretical study of vibrational excitation and dissociative electron attachment of NO2 by an electron impact

Journal of physics. Conference series, 2020-01, Vol.1412 (17)

2020

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Model for vibronic excitation of CH+ by resonant scattering of electron

Journal of physics. Conference series, 2020-01, Vol.1412 (14), p.142031

2020

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Note: Theoretical mixing coefficients for hybrid functionals

The Journal of chemical physics, 2012-02, Vol.136 (8), p.086101-086101-2

Cortona, Pietro

2012

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Ab Initio Calculations and Measurements of Thermoelectric Properties of V2O5 Films

Journal of electronic materials, 2013-07, Vol.42 (7), p.1597-1603

2013

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Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy

The Journal of chemical physics, 2014-03, Vol.140 (10), p.104101-104101

2014

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Spin density in YTiO3: II. Momentum-space representation of electron spin density supported by position-space results

Physical review. B, 2017-08, Vol.96 (5)

2017

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Structure impact on the thermal and electronic properties of bismuth telluride by ab-initio and molecular dynamics calculations

Journal of physics. Conference series, 2012, Vol.395 (1), p.12114-6

2012

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Stability of the different A1OOH phases under pressure

Journal of physics. Condensed matter, 2016-05, Vol.28 (18)

2016

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An ab-initio study of the rôle of lone pairs in the structure and insulator–metal transition in SnO and PbO

Solid state sciences, 2002-04, Vol.4 (4), p.467-474

2002

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LCAO study of the Cu(1 1 0)-p(2 × 1)O surface

Surface science, 2005-07, Vol.585 (3), p.155-162

2005

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Cu 2 O behavior under pressure: an ab initio study

Journal of physics. Condensed matter, 2011-02, Vol.23 (4), p.45502

2011

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Cu sub(2)O behavior under pressure: an ab initio study

Journal of physics. Condensed matter, 2011-02, Vol.23 (4), p.1-8

2011

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Thermoelectric transport in V2O5 thin films

Journal of physics. Conference series, 2012, Vol.395 (1)

2012

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Electronic structure of the Cu [formula omitted]-p(2×1)O surface by the semi-empirical LCAO method

Surface science, 2004-09, Vol.566 (2), p.1102-1106

2004

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A new parameter-free correlation functional based on an average atomic reduced density gradient analysis

The Journal of chemical physics, 2008-01, Vol.128 (3), p.034101-034101-8

2008

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Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact

Journal of physics. Conference series, 2020-01, Vol.1412 (17), p.172002

2020

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Semi-empirical LCAO analysis of the surface states of Cu: the ( [formula omitted]) surface

Surface science, 2003-06, Vol.532, p.19-24

2003

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Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (44), p.12322-12327

2009

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Joint refinement of a local wave-function model from Compton and Bragg scattering data

Physical review. B, Condensed matter, 2001-06, Vol.63 (23), Article 235115

2001

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Structural Engineering of Vacancy Defected Bismuth Tellurides for Thermo-electric Applications

EPJ Web of conferences, 2012, Vol.33, p.2012

2012

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Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd)

Physical review. B, 2018-06, Vol.97 (24), Article 245118

2018

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Assessment of the TCA functional in computational chemistry and solid-state physics

Theoretical chemistry accounts, 2015-11, Vol.134 (11), Article 139

2015

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Increasing physical constraints and improving performances in a parameter-free GGA functional

Chemical physics letters, 2008-07, Vol.460 (4), p.536-539

2008

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New range-separated hybrids based on the TCA density functional

Chemical physics letters, 2012-01, Vol.519, p.145-149

2012

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Cu2O behavior under pressure: an ab initio study

Theoretical study of vibrational excitation and dissociative electron attachment of NO2 by an electron impact

Model for vibronic excitation of CH+ by resonant scattering of electron

Note: Theoretical mixing coefficients for hybrid functionals

Ab Initio Calculations and Measurements of Thermoelectric Properties of V2O5 Films

Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy

Spin density in YTiO3: II. Momentum-space representation of electron spin density supported by position-space results

Structure impact on the thermal and electronic properties of bismuth telluride by ab-initio and molecular dynamics calculations

Stability of the different A1OOH phases under pressure

An ab-initio study of the rôle of lone pairs in the structure and insulator–metal transition in SnO and PbO

LCAO study of the Cu(1 1 0)-p(2 × 1)O surface

Cu 2 O behavior under pressure: an ab initio study

Cu sub(2)O behavior under pressure: an ab initio study

Thermoelectric transport in V2O5 thin films

Electronic structure of the Cu [formula omitted]-p(2×1)O surface by the semi-empirical LCAO method

A new parameter-free correlation functional based on an average atomic reduced density gradient analysis

Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact

Semi-empirical LCAO analysis of the surface states of Cu: the ( [formula omitted]) surface

Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex

Joint refinement of a local wave-function model from Compton and Bragg scattering data

Structural Engineering of Vacancy Defected Bismuth Tellurides for Thermo-electric Applications

Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd)

Assessment of the TCA functional in computational chemistry and solid-state physics

Increasing physical constraints and improving performances in a parameter-free GGA functional

New range-separated hybrids based on the TCA density functional

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